N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine

C16H27N3O — CID 106675135

IUPACN-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCOC(C)(C)CCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N3O/c1-16(2,20-3)9-11-17-14-7-12-19(13-8-14)15-6-4-5-10-18-15/h4-6,10,14,17H,7-9,11-13H2,1-3H3
InChIKeyLULUOXJGOPKMKJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.46
Rot. Bonds6

About N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine

N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 106675135) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID106675135
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCOC(C)(C)CCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N3O/c1-16(2,20-3)9-11-17-14-7-12-19(13-8-14)15-6-4-5-10-18-15/h4-6,10,14,17H,7-9,11-13H2,1-3H3
InChIKeyLULUOXJGOPKMKJ-UHFFFAOYSA-N
XLogP2.46
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396
2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103784825
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine (CID 106675135) is N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine is COC(C)(C)CCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is LULUOXJGOPKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,20-3)9-11-17-14-7-12-19(13-8-14)15-6-4-5-10-18-15/h4-6,10,14,17H,7-9,11-13H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 106675135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).